IMoleculeSet.java

/* $RCSfile$ * $Author: egonw $ * $Date: 2007-02-16 13:56:34 +0100 (Fri, 16 Feb 2007) $ * $Revision: 7957 $ * * Copyright (C) 2006-2007 Egon Willighagen <egonw@users.sf.net> * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. */package org.openscience.cdk.interfaces;
/** * Represents a set of Molecules. * * @cdk.module interfaces * @author egonw * @cdk.created 2005-08-25 */00033public interface IMoleculeSet extends IAtomContainerSet {
/** * Adds an IMolecule to this container. * * @param molecule The molecule to be added to this container */publicvoid addMolecule(IMolecule molecule);
/** * Adds all molecules in the MoleculeSet to this container. * * @param moleculeSet The MoleculeSet to add */publicvoidadd(IMoleculeSet moleculeSet);
/** * Sets the molecules in the IMoleculeSet, removing previously added * IMolecule's. * * @param molecules New set of molecules * @see #molecules() */publicvoid setMolecules(IMolecule[] molecules);
/** * Returns the array of Molecules of this container. * * @return The array of Molecules of this container * @see #setMolecules(IMolecule[]) */public java.util.Iterator molecules();
/** * Returns the Molecule at position <code>number</code> in the * container. * * @param number The position of the Molecule to be returned. * @return The Molecule at position <code>number</code> . */publicIMolecule getMolecule(int number);
/** * Returns the number of Molecules in this Container. * * @return The number of Molecules in this Container */publicint getMoleculeCount();
}